dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane

C11H10F3IN2O — CID 142542885

IUPACdimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane
SMILESCI(C)c1ncnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H10F3IN2O/c1-15(2)10-8-4-3-7(18-11(12,13)14)5-9(8)16-6-17-10/h3-6H,1-2H3
InChIKeyDOEIQOGLQAZEOU-UHFFFAOYSA-N
MW370.11 g/mol
LogP3.46
Rot. Bonds2

About dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane

dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane (PubChem CID 142542885) has the molecular formula C11H10F3IN2O and a molecular weight of 370.11 g/mol. Its IUPAC name is dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane.

Molecular Properties

Compound Namedimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane
PubChem CID142542885
Molecular FormulaC11H10F3IN2O
Molecular Weight370.11 g/mol
Exact Mass369.98
IUPAC Namedimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane
SMILESCI(C)c1ncnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H10F3IN2O/c1-15(2)10-8-4-3-7(18-11(12,13)14)5-9(8)16-6-17-10/h3-6H,1-2H3
InChIKeyDOEIQOGLQAZEOU-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146
4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline
CID 178126648
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
ethane;methanol;1-piperidin-1-yl-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]ethanone
CID 178127315
3-iodo-6-(trifluoromethoxy)-2H-indazole
CID 124518985
4-[4-(trifluoromethoxy)anilino]quinazoline-7-carbaldehyde
CID 126745164
dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
CID 162561670
(2R)-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]-1-[3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 178127180
[4-(7-methylquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466461
1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
2-(trifluoromethoxy)triphenylene
CID 154001040
methyl 4-[1-[4-(trifluoromethoxy)benzoyl]-3,6-dihydro-2H-pyridin-4-yl]quinazoline-7-carboxylate
CID 139466640

Frequently Asked Questions

What is the IUPAC name of dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane?
The IUPAC name of dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane (CID 142542885) is dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane.
What is the SMILES notation for dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane?
The canonical SMILES for dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane is CI(C)c1ncnc2cc(OC(F)(F)F)ccc12.
What is the InChIKey of dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane?
The InChIKey is DOEIQOGLQAZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3IN2O/c1-15(2)10-8-4-3-7(18-11(12,13)14)5-9(8)16-6-17-10/h3-6H,1-2H3.
What are the key properties of dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane?
dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane has a molecular weight of 370.11 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[7-(trifluoromethoxy)quinazolin-4-yl]-λ3-iodane is sourced from PubChem (CID 142542885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).